1-(4-fluoranyl-2-methyl-phenyl)sulfonyl-1,4-diazepan-4-ium

Systemtic Name: 1-(4-fluoranyl-2-methyl-phenyl)sulfonyl-1,4-diazepan-4-ium Openeye Name: 1-(4-fluoro-2-methyl-phenyl)sulfonyl-1,4-diazepan-4-ium CAS Name: 1-(4-fluoro-2-methylphenyl)sulfonyl-1,4-diazepan-4-ium IUPAC Name: 1-(4-fluoro-2-methylphenyl)sulfonyl-1,4-diazepan-4-ium Traditional Name: 1-(4-fluoro-2-methyl-phenyl)sulfonyl-1,4-diazepan-4-ium Formula: C12H18FN2O2S+ MolecularWeight: 273.346923

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)F)S(=O)(=O)N2CCC[NH2+]CC2

Isomeric SMILES

CC1=C(C=CC(=C1)F)S(=O)(=O)N2CCC[NH2+]CC2

InChI

InChI=1S/C12H17FN2O2S/c1-10-9-11(13)3-4-12(10)18(16,17)15-7-2-5-14-6-8-15/h3-4,9,14H,2,5-8H2,1H3/p+1